(2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine

C14H25N3S — CID 95901402

IUPAC(2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine
SMILESCC[C@](C)(NCCN1CCCCC1)c1nccs1
InChIInChI=1S/C14H25N3S/c1-3-14(2,13-15-8-12-18-13)16-7-11-17-9-5-4-6-10-17/h8,12,16H,3-7,9-11H2,1-2H3/t14-/m0/s1
InChIKeyKRJMFBPHUWSJSW-AWEZNQCLSA-N
MW267.44 g/mol
LogP2.84
Rot. Bonds6

About (2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine

(2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine (PubChem CID 95901402) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is (2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine
PubChem CID95901402
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name(2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine
SMILESCC[C@](C)(NCCN1CCCCC1)c1nccs1
InChIInChI=1S/C14H25N3S/c1-3-14(2,13-15-8-12-18-13)16-7-11-17-9-5-4-6-10-17/h8,12,16H,3-7,9-11H2,1-2H3/t14-/m0/s1
InChIKeyKRJMFBPHUWSJSW-AWEZNQCLSA-N
XLogP2.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901357
(2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
CID 95901404
2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione
CID 95901390
2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine
CID 62573951
1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901396
N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
CID 60659943
N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96519869
1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol
CID 111496642
2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 146085866
(2S)-N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
CID 95901364
N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 60701896
N-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 124741779

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of (2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine (CID 95901402) is (2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for (2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for (2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine is CC[C@](C)(NCCN1CCCCC1)c1nccs1.
What is the InChIKey of (2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is KRJMFBPHUWSJSW-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-14(2,13-15-8-12-18-13)16-7-11-17-9-5-4-6-10-17/h8,12,16H,3-7,9-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine?
(2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 95901402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).